Mandelic Acid

Mandelic Acid

SCHEMBL3893473

CN[C@@]1(C)CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.O=C(O)C(O)c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.43
SLC6A2 P23975 8/20 0.43
SLC6A3 Q01959 8/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP3A4 P08684 5/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
NPC1 O15118 2/20 0.43
CYP2D6 P10635 2/20 0.43
MTOR P42345 2/20 0.43
RAB9A P51151 2/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ABCB1 P08183 1/20 0.43
ADRB1 P08588 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8814001 0.87 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL19775842 0.81 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Sertraline SCHEMBL6700902 0.79 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Sertraline SCHEMBL3786157 0.79 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Sertraline SCHEMBL7933194 0.79 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Sertraline SCHEMBL6442184 0.79 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Sertraline SCHEMBL1206531 0.79 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4983177 0.77 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9686205 0.73 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Mandelic Acid SCHEMBL5394930 0.73 CYP2D6 (0.50) SLC6A4SLC6A2SLC6A3CYP2C19CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7518018-B2 Processes for preparing sertraline TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-14 US disclosed
US-20080183015-A1 Processes for preparing sertraline TEVA PHARMACEUTICAL INDUSTRIES LTD. 2008-07-31 US disclosed
US-20080114071-A1 Processes for preparing sertraline TEVA PHARMACEUTICALS USA, INC. 2008-05-15 US disclosed
US-20080114188-A1 Processes for preparing sertraline TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-05-15 US disclosed
US-7345201-B2 Processes for preparing sertraline TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2008-03-18 US disclosed
US-20070010694-A1 Processes for preparing sertraline TEVA PHARMACEUTICALS USA, INC. 2007-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080183015-A1 Processes for preparing sertraline HTR5A, HTR1A, SLC6A4 SLC6A4 3/4885SLC6A2 14/4885SLC6A3 84/4885
US-20080114071-A1 Processes for preparing sertraline HTR5A, HTR1A, SLC6A4 SLC6A4 3/4885SLC6A2 14/4885SLC6A3 84/4885
US-20080114188-A1 Processes for preparing sertraline HTR5A, HTR1A, SLC6A4 SLC6A4 3/4885SLC6A2 14/4885SLC6A3 84/4885
US-20070010694-A1 Processes for preparing sertraline HTR5A, HTR1A, SLC6A4 SLC6A4 3/4885SLC6A2 14/4885SLC6A3 84/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.